3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide

C19H17FN2O3 — CID 166331433

IUPAC3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide
SMILESO=C(CC(O)c1cccc(F)c1)NCc1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17FN2O3/c20-14-5-3-4-12(8-14)17(23)9-18(24)21-10-13-11-22-19(25)16-7-2-1-6-15(13)16/h1-8,11,17,23H,9-10H2,(H,21,24)(H,22,25)
InChIKeyGJAXCJPTPRBNCD-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.41
Rot. Bonds5

About 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide

3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide (PubChem CID 166331433) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide
PubChem CID166331433
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide
SMILESO=C(CC(O)c1cccc(F)c1)NCc1c[nH]c(=O)c2ccccc12
InChIInChI=1S/C19H17FN2O3/c20-14-5-3-4-12(8-14)17(23)9-18(24)21-10-13-11-22-19(25)16-7-2-1-6-15(13)16/h1-8,11,17,23H,9-10H2,(H,21,24)(H,22,25)
InChIKeyGJAXCJPTPRBNCD-UHFFFAOYSA-N
XLogP2.41
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 97060933
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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide (CID 166331433) is 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide is O=C(CC(O)c1cccc(F)c1)NCc1c[nH]c(=O)c2ccccc12.
What is the InChIKey of 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide?
The InChIKey is GJAXCJPTPRBNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-14-5-3-4-12(8-14)17(23)9-18(24)21-10-13-11-22-19(25)16-7-2-1-6-15(13)16/h1-8,11,17,23H,9-10H2,(H,21,24)(H,22,25).
What are the key properties of 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide?
3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide has a molecular weight of 340.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3-hydroxy-N-[(1-oxo-2H-isoquinolin-4-yl)methyl]propanamide is sourced from PubChem (CID 166331433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).